(4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one

C16H13F2NO2 — CID 143702787

IUPAC(4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc(N2C(=O)OC[C@@H]2c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H13F2NO2/c1-10-2-4-14(5-3-10)19-15(9-21-16(19)20)11-6-12(17)8-13(18)7-11/h2-8,15H,9H2,1H3/t15-/m1/s1
InChIKeyAIWMARATMLBUKL-OAHLLOKOSA-N
MW289.28 g/mol
LogP3.97
Rot. Bonds2

About (4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one

(4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 143702787) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is (4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID143702787
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name(4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc(N2C(=O)OC[C@@H]2c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H13F2NO2/c1-10-2-4-14(5-3-10)19-15(9-21-16(19)20)11-6-12(17)8-13(18)7-11/h2-8,15H,9H2,1H3/t15-/m1/s1
InChIKeyAIWMARATMLBUKL-OAHLLOKOSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one (CID 143702787) is (4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one is Cc1ccc(N2C(=O)OC[C@@H]2c2cc(F)cc(F)c2)cc1.
What is the InChIKey of (4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is AIWMARATMLBUKL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13F2NO2/c1-10-2-4-14(5-3-10)19-15(9-21-16(19)20)11-6-12(17)8-13(18)7-11/h2-8,15H,9H2,1H3/t15-/m1/s1.
What are the key properties of (4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
(4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 289.28 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 143702787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).